3NRN

Crystal Structure of PF1083 protein from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR223

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-03
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	63.693, 83.945, 95.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.460 - 2.100
R-factor	0.223
Rwork	0.223
R-free	0.26400
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX (THEN SOLVE/RESOLVE)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.059	0.394
Number of reflections	58218
<I/σ(I)>	40.6	8.2
Completeness [%]	99.8	100
Redundancy	5.4	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6	291	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: Sodium Acetate 70mM pH (4.6), 5.6% PEG4K, and 20% Glycerol., Microbatch under oil, temperature 291K